A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method
Publication information:
Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M. A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method. J. Phys. Chem. B. 2001;105:569.